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nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.
GNU Lesser General Public License v3.0
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BUG: Fixed in issue wherein `PSFContainer.sort_values` did not not update the residue ID #238

Closed BvB93 closed 3 years ago

codecov[bot] commented 3 years ago

Codecov Report

Merging #238 (99b3762) into master (6170350) will increase coverage by 0.01%. The diff coverage is 84.61%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #238      +/-   ##
==========================================
+ Coverage   76.69%   76.71%   +0.01%     
==========================================
  Files          64       64              
  Lines        6703     6716      +13     
  Branches     1180     1183       +3     
==========================================
+ Hits         5141     5152      +11     
  Misses       1255     1255              
- Partials      307      309       +2
Impacted Files Coverage Δ
FOX/io/read_psf.py 82.40% <84.61%> (+0.06%) :arrow_up:

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